about Spartan --
I guess I'll stick with
http://chemapps.stolaf.edu/jmol/docs/examples-11/jmol-flot-energy.htm You
can just drag and drop any Spartan file into that applet, and it will
display the associated clickable graph. Hopefully they will get a feature
such as this into some future edition of Spartan Student. For now this will
have to do. I don't see spreadsheets very appealing unless there is a direct
clickable interface between their data and the actual conformation. It's the
connection between the specific energies and the specific conformations that
my students need to make, not so much the overall energy picture.
Bob
>
> > I have a Spartan question: How do you construct an energy profile plot
> > that allows you to easily correlate specific conformations to specific
> > energies (as for example with butane)? I can do that in Sygress/CaCHE
> > or using Spartan files with my Jmol/Google plot page, but is there
> > some way of doing that directly in Spartan?
> >
> > Bob
>
> I am guessing that you would like to have a "clickable" (or otherwise
> interactive) graph linking (let's say) energy values with specific
> conformers. I do not know how to do that.
>
> Spartan provides a convenient spreadsheet function that allows one to
> collect energy data as a function of torsional angle and plot them (or
> even fit the data). A demonstration case is in the Spartan 08 "Tutorial
> and User Guide" (p. 98).
>
> PM
>
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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